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Increasing chemical space coverage by combining empirical and computational fragment screens

  • Author(s): Shoichet, Brian
  • Barelier, S
  • Eidam, O
  • Fish, I
  • Hollander, J
  • Figaroa, F
  • Nachane, R
  • Irwin, JJ
  • Shoichet, BK
  • Siegal, G
  • et al.

Published Web Location

http://europepmc.org/articles/PMC4215856?pdf=render
No data is associated with this publication.
Abstract

Most libraries for fragment-based drug discovery are restricted to 1,000-10,000 compounds, but over 500,000 fragments are commercially available and potentially accessible by virtual screening. Whether this larger set would increase chemotype coverage, and

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